Open davidkleiven opened 5 years ago
Currently the reaction path sampler assumes that each move tries to alter the reaction coordinate. However, there can be cases where we want to perform relaxation moves without altering the reaction coordinate. These moves should not be counted.
Currently the reaction path sampler assumes that each move tries to alter the reaction coordinate. However, there can be cases where we want to perform relaxation moves without altering the reaction coordinate. These moves should not be counted.